2-[2-(1-benzofuran-3-yl)ethyl]-7-ethyl-2-azabicyclo[2.2.2]oct-5-ene;5-bromo-3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;[3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indol-5-yl]methanol;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-methyl-1H-indole;ethyl 2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylate;3-[2-(6-ethyl-6-methyl-2-azabicyclo[2.2.2]octan-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(6-ethyl-6-methyl-2-azabicyclo[2.2.2]octan-2-yl)ethyl]-1H-indole;3-[2-(7-propan-2-yl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole

C177H226BrF2N17O4 — CID 160811862

IUPAC2-[2-(1-benzofuran-3-yl)ethyl]-7-ethyl-2-azabicyclo[2.2.2]oct-5-ene;5-bromo-3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;[3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indol-5-yl]methanol;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-methyl-1H-indole;ethyl 2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylate;3-[2-(6-ethyl-6-methyl-2-azabicyclo[2.2.2]octan-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(6-ethyl-6-methyl-2-azabicyclo[2.2.2]octan-2-yl)ethyl]-1H-indole;3-[2-(7-propan-2-yl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole
SMILESCC(C)C1CC2C=CC1N(CCc1c[nH]c3ccccc13)C2.CCC1(C)CC2CCC1N(CCc1c[nH]c3ccc(F)cc13)C2.CCC1(C)CC2CCC1N(CCc1c[nH]c3ccccc13)C2.CCC1CC2C=CC1N(CCc1c[nH]c3ccc(Br)cc13)C2.CCC1CC2C=CC1N(CCc1c[nH]c3ccc(C)cc13)C2.CCC1CC2C=CC1N(CCc1c[nH]c3ccc(CO)cc13)C2.CCC1CC2C=CC1N(CCc1c[nH]c3ccc(F)cc13)C2.CCC1CC2C=CC1N(CCc1coc3ccccc13)C2.CCOC(=O)C1CC2C=CC1N(CCc1c[nH]c3ccccc13)C2
InChIInChI=1S/C20H27FN2.C20H24N2O2.C20H26N2O.2C20H26N2.C20H28N2.C19H23BrN2.C19H23FN2.C19H23NO/c1-3-20(2)11-14-4-7-19(20)23(13-14)9-8-15-12-22-18-6-5-16(21)10-17(15)18;1-2-24-20(23)17-11-14-7-8-19(17)22(13-14)10-9-15-12-21-18-6-4-3-5-16(15)18;1-2-16-9-14-4-6-20(16)22(12-14)8-7-17-11-21-19-5-3-15(13-23)10-18(17)19;1-14(2)18-11-15-7-8-20(18)22(13-15)10-9-16-12-21-19-6-4-3-5-17(16)19;1-3-16-11-15-5-7-20(16)22(13-15)9-8-17-12-21-19-6-4-14(2)10-18(17)19;1-3-20(2)12-15-8-9-19(20)22(14-15)11-10-16-13-21-18-7-5-4-6-17(16)18;2*1-2-14-9-13-3-6-19(14)22(12-13)8-7-15-11-21-18-5-4-16(20)10-17(15)18;1-2-15-11-14-7-8-18(15)20(12-14)10-9-16-13-21-19-6-4-3-5-17(16)19/h5-6,10,12,14,19,22H,3-4,7-9,11,13H2,1-2H3;3-8,12,14,17,19,21H,2,9-11,13H2,1H3;3-6,10-11,14,16,20-21,23H,2,7-9,12-13H2,1H3;3-8,12,14-15,18,20-21H,9-11,13H2,1-2H3;4-7,10,12,15-16,20-21H,3,8-9,11,13H2,1-2H3;4-7,13,15,19,21H,3,8-12,14H2,1-2H3;2*3-6,10-11,13-14,19,21H,2,7-9,12H2,1H3;3-8,13-15,18H,2,9-12H2,1H3
InChIKeySEJYUXQFSJHDBN-UHFFFAOYSA-N
MW2773.77 g/mol
LogP37.71
Rot. Bonds38

About 2-[2-(1-benzofuran-3-yl)ethyl]-7-ethyl-2-azabicyclo[2.2.2]oct-5-ene;5-bromo-3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;[3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indol-5-yl]methanol;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-methyl-1H-indole;ethyl 2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylate;3-[2-(6-ethyl-6-methyl-2-azabicyclo[2.2.2]octan-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(6-ethyl-6-methyl-2-azabicyclo[2.2.2]octan-2-yl)ethyl]-1H-indole;3-[2-(7-propan-2-yl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole

2-[2-(1-benzofuran-3-yl)ethyl]-7-ethyl-2-azabicyclo[2.2.2]oct-5-ene;5-bromo-3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;[3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indol-5-yl]methanol;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-methyl-1H-indole;ethyl 2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylate;3-[2-(6-ethyl-6-methyl-2-azabicyclo[2.2.2]octan-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(6-ethyl-6-methyl-2-azabicyclo[2.2.2]octan-2-yl)ethyl]-1H-indole;3-[2-(7-propan-2-yl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole (PubChem CID 160811862) has the molecular formula C177H226BrF2N17O4 and a molecular weight of 2773.77 g/mol. Its IUPAC name is 2-[2-(1-benzofuran-3-yl)ethyl]-7-ethyl-2-azabicyclo[2.2.2]oct-5-ene;5-bromo-3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;[3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indol-5-yl]methanol;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-methyl-1H-indole;ethyl 2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylate;3-[2-(6-ethyl-6-methyl-2-azabicyclo[2.2.2]octan-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(6-ethyl-6-methyl-2-azabicyclo[2.2.2]octan-2-yl)ethyl]-1H-indole;3-[2-(7-propan-2-yl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole.

Molecular Properties

Compound Name2-[2-(1-benzofuran-3-yl)ethyl]-7-ethyl-2-azabicyclo[2.2.2]oct-5-ene;5-bromo-3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;[3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indol-5-yl]methanol;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-methyl-1H-indole;ethyl 2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylate;3-[2-(6-ethyl-6-methyl-2-azabicyclo[2.2.2]octan-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(6-ethyl-6-methyl-2-azabicyclo[2.2.2]octan-2-yl)ethyl]-1H-indole;3-[2-(7-propan-2-yl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole
PubChem CID160811862
Molecular FormulaC177H226BrF2N17O4
Molecular Weight2773.77 g/mol
Exact Mass2770.72
IUPAC Name2-[2-(1-benzofuran-3-yl)ethyl]-7-ethyl-2-azabicyclo[2.2.2]oct-5-ene;5-bromo-3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;[3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indol-5-yl]methanol;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-methyl-1H-indole;ethyl 2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylate;3-[2-(6-ethyl-6-methyl-2-azabicyclo[2.2.2]octan-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(6-ethyl-6-methyl-2-azabicyclo[2.2.2]octan-2-yl)ethyl]-1H-indole;3-[2-(7-propan-2-yl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole
SMILESCC(C)C1CC2C=CC1N(CCc1c[nH]c3ccccc13)C2.CCC1(C)CC2CCC1N(CCc1c[nH]c3ccc(F)cc13)C2.CCC1(C)CC2CCC1N(CCc1c[nH]c3ccccc13)C2.CCC1CC2C=CC1N(CCc1c[nH]c3ccc(Br)cc13)C2.CCC1CC2C=CC1N(CCc1c[nH]c3ccc(C)cc13)C2.CCC1CC2C=CC1N(CCc1c[nH]c3ccc(CO)cc13)C2.CCC1CC2C=CC1N(CCc1c[nH]c3ccc(F)cc13)C2.CCC1CC2C=CC1N(CCc1coc3ccccc13)C2.CCOC(=O)C1CC2C=CC1N(CCc1c[nH]c3ccccc13)C2
InChIInChI=1S/C20H27FN2.C20H24N2O2.C20H26N2O.2C20H26N2.C20H28N2.C19H23BrN2.C19H23FN2.C19H23NO/c1-3-20(2)11-14-4-7-19(20)23(13-14)9-8-15-12-22-18-6-5-16(21)10-17(15)18;1-2-24-20(23)17-11-14-7-8-19(17)22(13-14)10-9-15-12-21-18-6-4-3-5-16(15)18;1-2-16-9-14-4-6-20(16)22(12-14)8-7-17-11-21-19-5-3-15(13-23)10-18(17)19;1-14(2)18-11-15-7-8-20(18)22(13-15)10-9-16-12-21-19-6-4-3-5-17(16)19;1-3-16-11-15-5-7-20(16)22(13-15)9-8-17-12-21-19-6-4-14(2)10-18(17)19;1-3-20(2)12-15-8-9-19(20)22(14-15)11-10-16-13-21-18-7-5-4-6-17(16)18;2*1-2-14-9-13-3-6-19(14)22(12-13)8-7-15-11-21-18-5-4-16(20)10-17(15)18;1-2-15-11-14-7-8-18(15)20(12-14)10-9-16-13-21-19-6-4-3-5-17(16)19/h5-6,10,12,14,19,22H,3-4,7-9,11,13H2,1-2H3;3-8,12,14,17,19,21H,2,9-11,13H2,1H3;3-6,10-11,14,16,20-21,23H,2,7-9,12-13H2,1H3;3-8,12,14-15,18,20-21H,9-11,13H2,1-2H3;4-7,10,12,15-16,20-21H,3,8-9,11,13H2,1-2H3;4-7,13,15,19,21H,3,8-12,14H2,1-2H3;2*3-6,10-11,13-14,19,21H,2,7-9,12H2,1H3;3-8,13-15,18H,2,9-12H2,1H3
InChIKeySEJYUXQFSJHDBN-UHFFFAOYSA-N
XLogP37.71
TPSA215.15 Ų
H-Bond Donors9
H-Bond Acceptors13
Rotatable Bonds38
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002773.77
LogP ≤ 537.71
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[2-(1-benzofuran-3-yl)ethyl]-7-ethyl-2-azabicyclo[2.2.2]oct-5-ene;5-bromo-3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;[3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indol-5-yl]methanol;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-methyl-1H-indole;ethyl 2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylate;3-[2-(6-ethyl-6-methyl-2-azabicyclo[2.2.2]octan-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(6-ethyl-6-methyl-2-azabicyclo[2.2.2]octan-2-yl)ethyl]-1H-indole;3-[2-(7-propan-2-yl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole with MolForge

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Launch Full Analysis

Related Compounds

5-bromo-3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;ethyl 3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;[3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indol-5-yl]methanol;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-methyl-1H-indole;3-[2-(7-methyl-7-propan-2-yl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole
CID 157329422
2-[2-(1-benzofuran-3-yl)ethyl]-7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-ene;5-bromo-3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;ethyl 3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;ethyl 2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylate;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;[3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indol-5-yl]methanol;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-methyl-1H-indole;3-[2-(7-methyl-7-propan-2-yl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole
CID 157377717
2-[2-(1-benzofuran-3-yl)ethyl]-7-ethyl-2-azabicyclo[2.2.2]oct-5-ene;5-bromo-3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;[3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indol-5-yl]methanol;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-methyl-1H-indole;ethyl 3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;ethyl 2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylate;3-[2-(7-propan-2-yl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole
CID 157837977
ethyl 9-bromo-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethenyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethyl-3-(3-fluorophenyl)-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;9-ethyl-3-(3-fluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide;9-ethyl-3-(3-fluorophenyl)-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid
CID 159170271
CID 159172236
CID 159172236
3-[2-(2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;2-[2-(1-benzofuran-3-yl)ethyl]-7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-ene;5-bromo-3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;[3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indol-5-yl]methanol;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-methyl-1H-indole;3-[2-(7-methyl-7-propan-2-yl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole
CID 159609131
3-[8-[3,6-Bis(2,4,6-trimethylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole;8-[4-(3-bromophenyl)-3-methylphenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4-(2,5-dimethylphenyl)-3-methylphenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-methyl-4-(3-methylphenyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-methyl-4-(3-prop-2-enylphenyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;[3-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]methanol
CID 159808786
3-[8-[3,6-Bis(2,4,6-trimethylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole;8-[4-(3-bromophenyl)-3-methylphenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4-(2,5-dimethylphenyl)-3-methylphenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-methyl-4-(3-methylphenyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-methyl-4-(3-prop-2-enylphenyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;[3-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]methanol;molecular fluorine;3-(2,3,4,5,6-pentapyridin-3-ylphenyl)pyridine
CID 160808338
2-[2-(1-benzofuran-3-yl)ethyl]-7-ethyl-2-azabicyclo[2.2.2]oct-5-ene;5-bromo-3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(6-ethyl-2-azabicyclo[2.2.2]octan-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(6-ethyl-2-azabicyclo[2.2.2]octan-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;[3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indol-5-yl]methanol;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-methyl-1H-indole;ethyl 2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylate;3-[2-(7-propan-2-yl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole
CID 161931410
3-cyclohexyl-2-(furan-3-yl)-1H-indole-5-carboxylic acid;1H-indole-5-carboxylic acid;methyl 2-bromo-3-cyclohexyl-1H-indole-5-carboxylate
CID 162209232

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzofuran-3-yl)ethyl]-7-ethyl-2-azabicyclo[2.2.2]oct-5-ene;5-bromo-3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;[3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indol-5-yl]methanol;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-methyl-1H-indole;ethyl 2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylate;3-[2-(6-ethyl-6-methyl-2-azabicyclo[2.2.2]octan-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(6-ethyl-6-methyl-2-azabicyclo[2.2.2]octan-2-yl)ethyl]-1H-indole;3-[2-(7-propan-2-yl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole?
The IUPAC name of 2-[2-(1-benzofuran-3-yl)ethyl]-7-ethyl-2-azabicyclo[2.2.2]oct-5-ene;5-bromo-3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;[3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indol-5-yl]methanol;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-methyl-1H-indole;ethyl 2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylate;3-[2-(6-ethyl-6-methyl-2-azabicyclo[2.2.2]octan-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(6-ethyl-6-methyl-2-azabicyclo[2.2.2]octan-2-yl)ethyl]-1H-indole;3-[2-(7-propan-2-yl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole (CID 160811862) is 2-[2-(1-benzofuran-3-yl)ethyl]-7-ethyl-2-azabicyclo[2.2.2]oct-5-ene;5-bromo-3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;[3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indol-5-yl]methanol;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-methyl-1H-indole;ethyl 2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylate;3-[2-(6-ethyl-6-methyl-2-azabicyclo[2.2.2]octan-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(6-ethyl-6-methyl-2-azabicyclo[2.2.2]octan-2-yl)ethyl]-1H-indole;3-[2-(7-propan-2-yl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole.
What is the SMILES notation for 2-[2-(1-benzofuran-3-yl)ethyl]-7-ethyl-2-azabicyclo[2.2.2]oct-5-ene;5-bromo-3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;[3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indol-5-yl]methanol;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-methyl-1H-indole;ethyl 2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylate;3-[2-(6-ethyl-6-methyl-2-azabicyclo[2.2.2]octan-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(6-ethyl-6-methyl-2-azabicyclo[2.2.2]octan-2-yl)ethyl]-1H-indole;3-[2-(7-propan-2-yl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole?
The canonical SMILES for 2-[2-(1-benzofuran-3-yl)ethyl]-7-ethyl-2-azabicyclo[2.2.2]oct-5-ene;5-bromo-3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;[3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indol-5-yl]methanol;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-methyl-1H-indole;ethyl 2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylate;3-[2-(6-ethyl-6-methyl-2-azabicyclo[2.2.2]octan-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(6-ethyl-6-methyl-2-azabicyclo[2.2.2]octan-2-yl)ethyl]-1H-indole;3-[2-(7-propan-2-yl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole is CC(C)C1CC2C=CC1N(CCc1c[nH]c3ccccc13)C2.CCC1(C)CC2CCC1N(CCc1c[nH]c3ccc(F)cc13)C2.CCC1(C)CC2CCC1N(CCc1c[nH]c3ccccc13)C2.CCC1CC2C=CC1N(CCc1c[nH]c3ccc(Br)cc13)C2.CCC1CC2C=CC1N(CCc1c[nH]c3ccc(C)cc13)C2.CCC1CC2C=CC1N(CCc1c[nH]c3ccc(CO)cc13)C2.CCC1CC2C=CC1N(CCc1c[nH]c3ccc(F)cc13)C2.CCC1CC2C=CC1N(CCc1coc3ccccc13)C2.CCOC(=O)C1CC2C=CC1N(CCc1c[nH]c3ccccc13)C2.
What is the InChIKey of 2-[2-(1-benzofuran-3-yl)ethyl]-7-ethyl-2-azabicyclo[2.2.2]oct-5-ene;5-bromo-3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;[3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indol-5-yl]methanol;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-methyl-1H-indole;ethyl 2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylate;3-[2-(6-ethyl-6-methyl-2-azabicyclo[2.2.2]octan-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(6-ethyl-6-methyl-2-azabicyclo[2.2.2]octan-2-yl)ethyl]-1H-indole;3-[2-(7-propan-2-yl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole?
The InChIKey is SEJYUXQFSJHDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2.C20H24N2O2.C20H26N2O.2C20H26N2.C20H28N2.C19H23BrN2.C19H23FN2.C19H23NO/c1-3-20(2)11-14-4-7-19(20)23(13-14)9-8-15-12-22-18-6-5-16(21)10-17(15)18;1-2-24-20(23)17-11-14-7-8-19(17)22(13-14)10-9-15-12-21-18-6-4-3-5-16(15)18;1-2-16-9-14-4-6-20(16)22(12-14)8-7-17-11-21-19-5-3-15(13-23)10-18(17)19;1-14(2)18-11-15-7-8-20(18)22(13-15)10-9-16-12-21-19-6-4-3-5-17(16)19;1-3-16-11-15-5-7-20(16)22(13-15)9-8-17-12-21-19-6-4-14(2)10-18(17)19;1-3-20(2)12-15-8-9-19(20)22(14-15)11-10-16-13-21-18-7-5-4-6-17(16)18;2*1-2-14-9-13-3-6-19(14)22(12-13)8-7-15-11-21-18-5-4-16(20)10-17(15)18;1-2-15-11-14-7-8-18(15)20(12-14)10-9-16-13-21-19-6-4-3-5-17(16)19/h5-6,10,12,14,19,22H,3-4,7-9,11,13H2,1-2H3;3-8,12,14,17,19,21H,2,9-11,13H2,1H3;3-6,10-11,14,16,20-21,23H,2,7-9,12-13H2,1H3;3-8,12,14-15,18,20-21H,9-11,13H2,1-2H3;4-7,10,12,15-16,20-21H,3,8-9,11,13H2,1-2H3;4-7,13,15,19,21H,3,8-12,14H2,1-2H3;2*3-6,10-11,13-14,19,21H,2,7-9,12H2,1H3;3-8,13-15,18H,2,9-12H2,1H3.
What are the key properties of 2-[2-(1-benzofuran-3-yl)ethyl]-7-ethyl-2-azabicyclo[2.2.2]oct-5-ene;5-bromo-3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;[3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indol-5-yl]methanol;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-methyl-1H-indole;ethyl 2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylate;3-[2-(6-ethyl-6-methyl-2-azabicyclo[2.2.2]octan-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(6-ethyl-6-methyl-2-azabicyclo[2.2.2]octan-2-yl)ethyl]-1H-indole;3-[2-(7-propan-2-yl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole?
2-[2-(1-benzofuran-3-yl)ethyl]-7-ethyl-2-azabicyclo[2.2.2]oct-5-ene;5-bromo-3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;[3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indol-5-yl]methanol;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-methyl-1H-indole;ethyl 2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylate;3-[2-(6-ethyl-6-methyl-2-azabicyclo[2.2.2]octan-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(6-ethyl-6-methyl-2-azabicyclo[2.2.2]octan-2-yl)ethyl]-1H-indole;3-[2-(7-propan-2-yl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole has a molecular weight of 2773.77 g/mol, XLogP of 37.71, 38 rotatable bonds, 9 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-benzofuran-3-yl)ethyl]-7-ethyl-2-azabicyclo[2.2.2]oct-5-ene;5-bromo-3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;[3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indol-5-yl]methanol;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-methyl-1H-indole;ethyl 2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylate;3-[2-(6-ethyl-6-methyl-2-azabicyclo[2.2.2]octan-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(6-ethyl-6-methyl-2-azabicyclo[2.2.2]octan-2-yl)ethyl]-1H-indole;3-[2-(7-propan-2-yl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole is sourced from PubChem (CID 160811862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).